2-pyridin-4-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 2-pyridin-4-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 2-(4-pyridyl)ethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-pyridin-4-ylethyl ester IUPAC Name: 2-pyridin-4-ylethyl 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 2-(4-pyridyl)ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=NC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OCCC4=CC=NC=C4)C#N

InChI

InChI=1S/C26H26N4O4S/c1-33-20-4-2-3-19(15-20)5-6-24(31)29-25-22(16-27)21-9-13-30(17-23(21)35-25)26(32)34-14-10-18-7-11-28-12-8-18/h2-4,7-8,11-12,15H,5-6,9-10,13-14,17H2,1H3,(H,29,31)